Structure of PDB 7r3u Chain A

Receptor sequence
>7r3uA (length=411) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
PSPNLPPGFDFTDPAIYAERLPVAEFAELRSAAPIWWNGQDPGKGGGFHD
GGFWAITKLNDVKEISRHSDVFSSYENGVIPRFKNDIAREDIEVQRFVML
NMDAPHHTRLRKIISRGFTPRAVGRLHDELQERAQKIAAEAAAAGSGDFV
EQVSCELPLQAIAGLLGVPQEDRGKLFHWSNEMTGNEDPEYAHIDPKASS
AELIGYAMKMAEEKAKNPADDIVTQLIQADIDGEKLSDDEFGFFVVMLAV
AGNETTRNSITQGMMAFAEHPDQWELYKKVRPETAADEIVRWATPVTAFQ
RTALRDYELSGVQIKKGQRVVMFYRSANFDEEVFQDPFTFNILRNPNPHV
GFGGTGAHYCIGANLARMTINLIFNAVADHMPDLKPISAPERLRSGWLNG
IKHWQVDYTGR
3D structure
PDB7r3u Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
ChainA
Resolution1.86 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.14.15.29: cholest-4-en-3-one 26-monooxygenase [(25S)-3-oxocholest-4-en-26-oate forming].
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 2QC A I97 T201 V267 A268 T272 W414 I80 T184 V250 A251 T255 W397
BS02 HEM A M116 H124 R128 M264 A268 G269 T272 T273 P312 F316 R318 G368 F369 H375 C377 G379 M99 H107 R111 M247 A251 G252 T255 T256 P295 F299 R301 G351 F352 H358 C360 G362
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008395 steroid hydroxylase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
GO:0046872 metal ion binding
Biological Process
GO:0006707 cholesterol catabolic process
GO:0008203 cholesterol metabolic process
GO:0016042 lipid catabolic process
GO:0051701 biological process involved in interaction with host

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Molecular Function
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Biological Process
External links
PDB RCSB:7r3u, PDBe:7r3u, PDBj:7r3u
PDBsum7r3u
PubMed36912255
UniProtP9WPP1|CP125_MYCTU Steroid C26-monooxygenase (Gene Name=cyp125)

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